1-Allyl-3,7-Dimethyl-8-Phenyl-3,7-Dihydro-1H-Purine-2,6-Dione
[CAS# 149981-23-7]

Identification

• Name: 1-Allyl-3,7-Dimethyl-8-Phenyl-3,7-Dihydro-1H-Purine-2,6-Dione
• Synonyms: 1-Allyl-3,7-dimethyl-8-phenyl-3,7-dihydro-purine-2,6-dione; 1-Allyl-3,7-dimethyl-8-phenylxanthine
• Molecular Formula: C₁₆H₁₆N₄O₂
• Molecular Weight: 296.32
• CAS Registry Number: 149981-23-7
• SMILES: CN1C2=C(N=C1C3=CC=CC=C3)N(C(=O)N(C2=O)CC=C)C
• InChI: 1S/C16H16N4O2/c1-4-10-20-15(21)12-14(19(3)16(20)22)17-13(18(12)2)11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3
• InChIKey: DKISSNPEWQAXRA-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 502.7±60.0°C at 760 mmHg (Cal.)
• Flash point: 257.8±32.9°C (Cal.)
• Refractive index: 1.645 (Cal.)